CAS RN: 1536209-87-6
4-(3-Chlorophenyl)-2,6-diphenylpyrimidine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250920 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-063024
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
1536209-87-6 / 4-(3-chlorophenyl)-2,6-diphenylpyrimidine
Basic Information
CAS
1536209-87-6
Multi CAS
No
Molecular Formula
C22H15ClN2
Molecular Weight
342.800000
Exact Mass
342.092376
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H15ClN2/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17/h1-15H
InChIKey
FDTRHTNHPKRWFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
103.35
TPSA
25.78
LogP / Solubility
WLOGP
6.13
MLOGP
5.41
XLogP3
5.8
Consensus LogP
5.78
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
![CAS 32980-71-5 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t1810-jpgcontextbwfzdgvyfhjvb3r8mzu3mtf8aw1hz2uvanblz3xonguvagvllzg5mzi0otg4njyymdyvvde4mtauanbnfgzmogq0odm3mgqxmzjlmmm5nje3y2y4m2izytk5ngy1mdbizjcyyjc0mjc0ztrjmtawmdjimtvmytmzogm5yzg.jpeg)
